1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine

C18H28N4 — CID 120663034

IUPAC1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/C2CC(N3CCCCC3)C2)c1
InChIInChI=1S/C18H28N4/c1-13-8-14(2)10-15(9-13)20-18(19)21-16-11-17(12-16)22-6-4-3-5-7-22/h8-10,16-17H,3-7,11-12H2,1-2H3,(H3,19,20,21)
InChIKeyLNCMGKMTGYHBCX-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.05
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine

1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine (PubChem CID 120663034) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
PubChem CID120663034
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/C2CC(N3CCCCC3)C2)c1
InChIInChI=1S/C18H28N4/c1-13-8-14(2)10-15(9-13)20-18(19)21-16-11-17(12-16)22-6-4-3-5-7-22/h8-10,16-17H,3-7,11-12H2,1-2H3,(H3,19,20,21)
InChIKeyLNCMGKMTGYHBCX-UHFFFAOYSA-N
XLogP3.05
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120663010
1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120662966
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide
CID 120662989
2-(3-piperidin-1-ylcyclobutyl)-1-[3-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 120663019
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine
CID 120666092
2-[2-(azepan-1-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111056993
1-(3,5-dimethylphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074656
1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111028792
1-(3,5-dimethylphenyl)-2-spiro[2.2]pentan-2-ylguanidine
CID 122125967
1-(3,5-dimethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070226
1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
CID 120662526
1-(3,5-dimethylphenyl)-2-spiro[2.2]pentan-2-ylguanidine;hydroiodide
CID 122125966

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine (CID 120663034) is 1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine is Cc1cc(C)cc(N/C(N)=N/C2CC(N3CCCCC3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine?
The InChIKey is LNCMGKMTGYHBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-13-8-14(2)10-15(9-13)20-18(19)21-16-11-17(12-16)22-6-4-3-5-7-22/h8-10,16-17H,3-7,11-12H2,1-2H3,(H3,19,20,21).
What are the key properties of 1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine?
1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine has a molecular weight of 300.45 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine is sourced from PubChem (CID 120663034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).